UCSF

ZINC65499177

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 24 Yes

Popular Name: (3R)-N-[(2S)-2-(dimethylamino)-2-(2-thienyl)ethyl]-1-oxo-isochromane-3-carboxamide (3R)-N-[(2S)-2-(dimethylamino)-2…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 9.31 -54.7 2 5 1 60 345.444 5 ↓
Mid Mid (pH 6-8) 2.37 6.79 -16.84 1 5 0 59 344.436 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.